2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone

C82H166N8O9S3 — CID 159513772

IUPAC2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(=O)N1CCCCC1C(C)(C)C.CC(C)(C)C1CCCCN1S(C)(=O)=O.CC(C)(C)C1CCCN(S(C)(=O)=O)C1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN(S(C)(=O)=O)CC1.CN1CCCCC1C(C)(C)C
InChIInChI=1S/3C11H21NO.3C10H21NO2S.C10H21N.C9H19N/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-9(13)12-8-6-5-7-10(12)11(2,3)4;1-10(2,3)9-5-7-11(8-6-9)14(4,12)13;1-10(2,3)9-6-5-7-11(8-9)14(4,12)13;1-10(2,3)9-7-5-6-8-11(9)14(4,12)13;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-4-6-10-7-8/h3*10H,5-8H2,1-4H3;3*9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3
InChIKeyMAXRDIYFAXJQKU-UHFFFAOYSA-N
MW1504.48 g/mol
LogP16.82
Rot. Bonds3

About 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone

2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone (PubChem CID 159513772) has the molecular formula C82H166N8O9S3 and a molecular weight of 1504.48 g/mol. Its IUPAC name is 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone
PubChem CID159513772
Molecular FormulaC82H166N8O9S3
Molecular Weight1504.48 g/mol
Exact Mass1503.19
IUPAC Name2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(=O)N1CCCCC1C(C)(C)C.CC(C)(C)C1CCCCN1S(C)(=O)=O.CC(C)(C)C1CCCN(S(C)(=O)=O)C1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN(S(C)(=O)=O)CC1.CN1CCCCC1C(C)(C)C
InChIInChI=1S/3C11H21NO.3C10H21NO2S.C10H21N.C9H19N/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-9(13)12-8-6-5-7-10(12)11(2,3)4;1-10(2,3)9-5-7-11(8-6-9)14(4,12)13;1-10(2,3)9-6-5-7-11(8-9)14(4,12)13;1-10(2,3)9-7-5-6-8-11(9)14(4,12)13;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-4-6-10-7-8/h3*10H,5-8H2,1-4H3;3*9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3
InChIKeyMAXRDIYFAXJQKU-UHFFFAOYSA-N
XLogP16.82
TPSA188.34 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.48
LogP ≤ 516.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone?
The IUPAC name of 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone (CID 159513772) is 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone is CC(=O)N1CCC(C(C)(C)C)CC1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(=O)N1CCCCC1C(C)(C)C.CC(C)(C)C1CCCCN1S(C)(=O)=O.CC(C)(C)C1CCCN(S(C)(=O)=O)C1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN(S(C)(=O)=O)CC1.CN1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone?
The InChIKey is MAXRDIYFAXJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H21NO.3C10H21NO2S.C10H21N.C9H19N/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-9(13)12-8-6-5-7-10(12)11(2,3)4;1-10(2,3)9-5-7-11(8-6-9)14(4,12)13;1-10(2,3)9-6-5-7-11(8-9)14(4,12)13;1-10(2,3)9-7-5-6-8-11(9)14(4,12)13;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-4-6-10-7-8/h3*10H,5-8H2,1-4H3;3*9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone?
2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone has a molecular weight of 1504.48 g/mol, XLogP of 16.82, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylsulfonylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylpiperidine;1-(2-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone is sourced from PubChem (CID 159513772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).